(4-hydroxy-2,5-diphenylthiophen-3-yl) propan-2-yl carbonate

C20H18O4S — CID 56634177

IUPAC(4-hydroxy-2,5-diphenylthiophen-3-yl) propan-2-yl carbonate
SMILESCC(C)OC(=O)Oc1c(-c2ccccc2)sc(-c2ccccc2)c1O
InChIInChI=1S/C20H18O4S/c1-13(2)23-20(22)24-17-16(21)18(14-9-5-3-6-10-14)25-19(17)15-11-7-4-8-12-15/h3-13,21H,1-2H3
InChIKeyWCEKQXPKZONVCF-UHFFFAOYSA-N
MW354.43 g/mol
LogP5.71
Rot. Bonds4

About (4-hydroxy-2,5-diphenylthiophen-3-yl) propan-2-yl carbonate

(4-hydroxy-2,5-diphenylthiophen-3-yl) propan-2-yl carbonate (PubChem CID 56634177) has the molecular formula C20H18O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is (4-hydroxy-2,5-diphenylthiophen-3-yl) propan-2-yl carbonate.

Molecular Properties

Compound Name(4-hydroxy-2,5-diphenylthiophen-3-yl) propan-2-yl carbonate
PubChem CID56634177
Molecular FormulaC20H18O4S
Molecular Weight354.43 g/mol
Exact Mass354.09
IUPAC Name(4-hydroxy-2,5-diphenylthiophen-3-yl) propan-2-yl carbonate
SMILESCC(C)OC(=O)Oc1c(-c2ccccc2)sc(-c2ccccc2)c1O
InChIInChI=1S/C20H18O4S/c1-13(2)23-20(22)24-17-16(21)18(14-9-5-3-6-10-14)25-19(17)15-11-7-4-8-12-15/h3-13,21H,1-2H3
InChIKeyWCEKQXPKZONVCF-UHFFFAOYSA-N
XLogP5.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.43
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

Analyze (4-hydroxy-2,5-diphenylthiophen-3-yl) propan-2-yl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[5-(3-Hydroxy-4-methoxyphenyl)thiophen-2-yl]-2-methoxyphenol
CID 9862244
(3-Hydroxy-1-benzothiophen-2-yl) hydrogen carbonate
CID 21656471
4,6-Diphenylthieno[3,4-d][1,3]dioxol-2-one
CID 54413505
Cyclopentyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate
CID 56607814
Ethyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate
CID 56608031
(4-Hydroxy-2,5-diphenylthiophen-3-yl) methyl carbonate
CID 56622870
(4-Hydroxy-2,5-diphenylthiophen-3-yl) 3-methylbutyl carbonate
CID 56626865
(4-hydroxy-2,5-diphenylthiophen-3-yl) N,N-diethylcarbamate
CID 56631380
(2,2-Diethyl-1,3-dioxolan-4-yl)methyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate
CID 56631551
(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate
CID 56632344
(4-Hydroxy-2,5-diphenylthiophen-3-yl) prop-2-enyl carbonate
CID 56635837
Decyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate
CID 56997585

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2,5-diphenylthiophen-3-yl) propan-2-yl carbonate?
The IUPAC name of (4-hydroxy-2,5-diphenylthiophen-3-yl) propan-2-yl carbonate (CID 56634177) is (4-hydroxy-2,5-diphenylthiophen-3-yl) propan-2-yl carbonate.
What is the SMILES notation for (4-hydroxy-2,5-diphenylthiophen-3-yl) propan-2-yl carbonate?
The canonical SMILES for (4-hydroxy-2,5-diphenylthiophen-3-yl) propan-2-yl carbonate is CC(C)OC(=O)Oc1c(-c2ccccc2)sc(-c2ccccc2)c1O.
What is the InChIKey of (4-hydroxy-2,5-diphenylthiophen-3-yl) propan-2-yl carbonate?
The InChIKey is WCEKQXPKZONVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4S/c1-13(2)23-20(22)24-17-16(21)18(14-9-5-3-6-10-14)25-19(17)15-11-7-4-8-12-15/h3-13,21H,1-2H3.
What are the key properties of (4-hydroxy-2,5-diphenylthiophen-3-yl) propan-2-yl carbonate?
(4-hydroxy-2,5-diphenylthiophen-3-yl) propan-2-yl carbonate has a molecular weight of 354.43 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2,5-diphenylthiophen-3-yl) propan-2-yl carbonate is sourced from PubChem (CID 56634177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).